terclim by ICS banner
IVES 9 IVES Conference Series 9 REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

Abstract

Understanding the composition of wine and how it is influenced by climate or wine-making practices is a challenging issue. Two approaches are typically used to explore this issue. The first approach uses che-mical fingerprints, which require advanced tools such as high-resolution mass spectrometry and mul-tidimensional chromatography. The second approach is the targeted method, which relies on the widely available 1-D GC/MS, but involves integrating the areas under a few peaks which ends up using only a small fraction of the chromatogram.

Here, we employ state-of-the-art machine learning methods to optimize the analysis of 1-D GC/MS chromatograms. Specifically, we aim to determine whether these chromatograms contain valuable in-formation beyond the manually extracted peaks typically utilized in the targeted approach.

To explore those questions, we analyzed 4 different types of 1-D raw chromatograms (3 SIM and 1 full-scan) of 80 wines (12 vintages from 7 estates of the Bordeaux area. We first applied nonlinear dimensio-nality reduction techniques (T-SNE and UMAP) to the chromatograms to obtain 2D maps. In the resul-ting maps, wines of the same estates across multiple vintages tended to form clear clusters, whose spatial distribution reflected the geography of the Bordeaux wine region. This indicated that, for this particular set of wine, the raw chromatograms are highly informative about terroir and wine identity.

Next, we applied cross-validated classifiers to the raw chromatograms and found that we could recover perfectly well estates identity independent of vintage. By contrast, performance on vintage classifica-tion was much lower with a maximum performance of 50% correct.

Crucially, we found that the entire chromatogram is informative with respect to both of these variables. Thus, the extraction of specific peaks of the chromatogram to quantify the concentration of 32 known chemical compounds–discarding the rest of the chromatograms–led to worse classification perfor-mance, suggesting that estate identity is distributed over a large chemical spectrum, including many molecules that have yet to be identified.

In addition, the GC raw data can be used to predict the ratings of a professional wine critic (Robert Par-ker) above chance, thus suggesting that GC might also contain information about the organoleptic pro-perties of wine.

Overall, this study demonstrates the strong potential of raw chromatogram analysis for wine characte-rization and identification.

DOI:

Publication date: February 9, 2024

Issue: OENO Macrowine 2023

Type: Article

Authors

Michael Schartner¹, Jeff M. Beck², Justine Laboyrie³, Laurent Riquier³, Stephanie Marchand3*, Alexandre Pouget4*

1. Center for the Unknown. Champalimaud Institute. Lisbon. Portugal. 
2. Duke university. USA
3. Université de Bordeaux, ISVV, INRAE, UMR 1366 OENOLOGIE, 33140 Villenave d’Ornon, France
4. Département des neurosciences fondamentales. Université de Genève. Suisse. 

Contact the author*

Keywords

Machine learning, Wine composition, Sensorial classification, Terroir

Tags

IVES Conference Series | oeno macrowine 2023 | oeno-macrowine

Citation

Related articles…

WINE SWIRLING: A FIRST STEP TOWARDS THE UNLOCKING OF THE WINE’STASTER GESTURE

Right after the pouring of wine in a glass, a myriad of volatile organic compounds, including ethanol, overwhelm the glass headspace, thus causing the so-called wine’s bouquet [1]. Otherwise, it is worth noting that during wine tasting, most people automatically swirl their glass to enhance the release of aromas in the glass headspace [1]. About a decade ago, Swiss researchers revealed the complex fluid mechanics underlying wine swirling [2]. However, despite mechanically repeated throughout wine tasting, the consequences of glass swirling on the chemical space found in the headspace of wine glasses are still barely known.

PREVALENCE OF OAK-RELATED AROMA COMPOUNDS IN PREMIUM WINES

Barrel fermentation and barrel-ageing of wine are commonly utilised practices in premium wine production. The wine aroma compounds related to barrel contact are varied and can enhance a range of wine aromas and flavours, such as ‘struck flint’, ‘caramel’, ‘red berry’, ‘toasty’ and ‘nutty’, as well as conventional oaky characters such as ‘vanilla’, ‘spice’, ‘smoky’ and ‘coconut’. A survey of commercially produced premium Shiraz, Cabernet Sauvignon, Pinot Noir and Chardonnay wines was conducted, assessing the prevalence of compounds that have been proposed as barrel-ageing markers¹ including oak lactones, volatile phenols, furanones, aldehydes, thiazoles2,3, phenylmethanethiol⁴ and 2-furylmethanethiol.⁵

Grouping Vitis vinifera grapevine varieties based on their aromatic composition

Climate change is likely to impact wine typicity across the globe, raising concerns in wine regions historically renowned for the quality of their terroir1. Amongst several changes in viticultural practices, replacing some of the planting material (i.e. clones, rootstocks and cultivars) is thought to be one of the most promising potential levers to be used for adapting to climate change. But the change of cultivars also involves the issue of protecting the region’s wine typicity. In Bordeaux (France), extensive research has been conducted on identifying meridional varieties that could be good candidates to help guard against the effects of climate change2 while less research has been done concerning their impacts on Bordeaux wine typicity.

A NEW STRATEGY AND METHODOLOGY FOR THE CHARACTERIZATION OF POLYPHENOLS IN FINING PRECIPITATE

Polyphenols are secondary metabolite widely distributed in plant kingdom such as in fruits, in grapes and in wine. During the winemaking process, polyphenols are extract from the skin and seed of the berries. Fining is an important winemaking step just before bottling which has an impact on wine stabilization and clarification. Most the time, fining agent are animal or vegetal protein while some of them can be synthetic polymer like PVPP or natural origin like bentonite.

SENSORY PROFILES AND EUROPEAN CONSUMER PREFERENCE RELATED TOAROMA AND PHENOLIC COMPOSITION OF WINES MADE FROM FUNGUSRESISTANT GRAPE VARIETIES (PIWI)

Planting grape varieties with several resistance loci towards powdery and downy mildew reduces the use of fungicides significantly. These fungus resistant or PIWI varieties (acronym of German Pilzwiderstandsfähig) contribute significantly to the 50% pesticide reduction goal, set by the European Green Deal for 2030. However, wine growers hesitate to plant PIWIs as they lack experience in vinification and are uncertain, how consumer accept and buy wines from these yet mostly unknown varieties. Grapes from four white and three red PIWI varieties were vinified in three vintages to obtain four diffe-rent white and red wine styles, respectively plus one rosé.